Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL28004191

CC=CCC.CCOC(=O)CC(=O)OCC

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
MGAM O43451 1/20 0.65
SI P14410 1/20 0.65
MGAM2 Q2M2H8 1/20 0.65
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS2 P35354 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Malonic Acid Diethyl Ester SCHEMBL28004205 0.86 GAA (0.79) GAAMGAMSIMGAM2NR1I2
SCHEMBL6865669 0.85 GAA (0.62) GAAMGAMSIMGAM2NR1I2
Malonic Acid Diethyl Ester SCHEMBL7947003 0.81 GAA (0.62) GAAMGAMSIMGAM2NR1I2
Malonic Acid Diethyl Ester SCHEMBL1331187 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8636 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1330550 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1864301 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6865666 0.79 GAA (0.60) GAAMGAMSIMGAM2NR1I2
SCHEMBL6865664 0.79 GAA (0.60) GAAMGAMSIMGAM2NR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837714-A METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER 东邦钛株式会社 2016-08-10 CN disclosed
CN-104640887-A Production method for solid catalyst component for polymerizing olefins, catalyst for polymerizing olefins, and production method for polymerized olefins TOHO TITANIUM CO LTD 2015-05-20 CN disclosed
CN-104640886-A PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS TOHO TITANIUM CO LTD 2015-05-20 CN disclosed
CN-104470953-A Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer TOHO TITANIUM CO LTD 2015-03-25 CN disclosed